%chk=000096158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096158

0 1
 S   -2.432700       1.769400     -0.9631000    
 O    5.071100     -0.7044000      0.5458000    
 N  -0.1583000      0.3615000     -0.8959000    
 C    1.840200       1.015600      0.2815000    
 C    1.116000      0.1205000     -0.5336000    
 C    3.168800      0.7322000      0.6405000    
 C    1.195400       2.181800      0.7153000    
 C    1.756800      -1.038200     -0.9640000    
 C    3.785000     -0.4339000      0.1957000    
 C  -0.7439000       1.498700     -0.4563000    
 C  -0.1175000       2.432900      0.3436000    
 C    3.077900      -1.319800     -0.6076000    
 C   -3.238400      0.3345000     -0.2677000    
 C   -3.202500      0.1177000       1.107700    
 C   -3.899900     -0.5624000      -1.103200    
 C   -3.831600      -1.002600       1.650700    
 C   -4.529100      -1.682500     -0.5601000    
 C   -4.494800      -1.902600      0.8170000    
 C    5.637500      -1.918500      5.3700000E-02
 H    3.726500       1.423100       1.269700    
 H    1.713200       2.901000       1.345700    
 H    1.223100      -1.747800      -1.594000    
 H  -0.6149000       3.336000      0.6812000    
 H    3.489100      -2.246900     -0.9924000    
 H   -2.697000      0.8088000       1.777500    
 H   -3.936300     -0.4072000      -2.178700    
 H   -3.806200      -1.173400       2.723000    
 H   -5.045500      -2.383700      -1.209100    
 H   -4.984900      -2.774700       1.239900    
 H    6.664500      -1.971800      0.4295000    
 H    5.696100      -1.920300      -1.040000    
 H    5.108400      -2.795300      0.4421000    


%chk=000096158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096158

0 1
S -2.559510 1.937161 0.152633
O 5.280684 -0.526464 0.016797
N -0.292241 0.328731 0.158313
C 2.025235 1.223701 0.030865
C 1.082907 0.125151 0.120539
C 3.421565 0.954276 -0.001438
C 1.476947 2.554096 -0.019460
C 1.585778 -1.208521 0.171808
C 3.886555 -0.368515 0.052917
C -0.746945 1.577590 0.103996
C 0.099579 2.739974 0.016385
C 2.961401 -1.459546 0.139173
C -3.347957 0.271807 0.134184
C -3.119792 -0.660053 1.172197
C -4.256729 -0.017774 -0.908776
C -3.806880 -1.894558 1.158514
C -4.951180 -1.250393 -0.907519
C -4.725921 -2.190737 0.123656
C 5.820632 -1.887500 0.071241
H 4.149242 1.769902 -0.068673
H 2.151074 3.415392 -0.088242
H 0.860702 -2.025554 0.234371
H -0.343888 3.739501 -0.024717
H 3.320967 -2.491997 0.178752
H -2.410811 -0.425882 1.970717
H -4.414088 0.708565 -1.712719
H -3.628476 -2.620184 1.959870
H -5.658551 -1.473681 -1.713778
H -5.261472 -3.146751 0.122011
H 6.912467 -1.761471 0.031644
H 5.485169 -2.491382 -0.794143
H 5.539638 -2.397183 1.013284


